SCHEMBL16332829

SCHEMBL16332829

CNc1nc2cnc(Nc3cc(OC)cc(C(F)(F)F)c3)cc2n1Cc1ccco1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPC5 Q9UL62 4/20 0.40
▸ CDK2 P24941 3/20 0.40
▸ CDK4 P11802 2/20 0.40
▸ GSK3B P49841 3/20 0.39
▸ STK16 O75716 1/20 0.39
▸ CLK1 P49759 1/20 0.39
▸ CLK2 P49760 1/20 0.39
▸ CLK3 P49761 1/20 0.39
▸ CLK4 Q9HAZ1 1/20 0.39
▸ ZAP70 P43403 4/20 0.39
▸ SRC P12931 3/20 0.39
▸ SYK P43405 3/20 0.39
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ KDR P35968 1/20 0.37
▸ HDAC3 O15379 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16331731 0.86 TRPC5 (0.47) TRPC5CDK2SRCSMN1; SMN2L3MBTL1
SCHEMBL16331809 0.83 IGF1R (0.42) TRPC5CDK2KDRSMN1; SMN2LMNA
SCHEMBL16332667 0.81 TP53 (0.42) TRPC5CDK4LMNAALDH1A1KDM4E
SCHEMBL16332944 0.81 TRPC5 (0.44) TRPC5CDK2CDK4ALDH1A1HPGD
SCHEMBL16331429 0.75 ALDH1A1 (0.42) CLK1CLK2CLK3CLK4L3MBTL1
SCHEMBL16332751 0.75 IGF1R (0.44) SRCL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL16332496 0.71 GABRG2 (0.47) CLK4SRCSMN1; SMN2L3MBTL1LMNA
SCHEMBL16332608 0.70 KIF11 (0.46) LMNAKDM4EMAPT
SCHEMBL16332494 0.70 LMNA (0.47) CLK4SMN1; SMN2L3MBTL1LMNAALDH1A1
SCHEMBL16332487 0.69 CYP3A4 (0.51) CLK4SMN1; SMN2LMNAALDH1A1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2818472-A1 Imidazo[4,5-c]pyridine and pyrrolo[3,2-c]pyridine compounds as G-protein-coupled receptor kinase 5 (GRK5) modulators Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2014-12-31 — — EP claimed
EP-2818472-A1 Imidazo[4,5-c]pyridine and pyrrolo[3,2-c]pyridine compounds as G-protein-coupled receptor kinase 5 (GRK5) modulators Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2014-12-31 — — EP disclosed
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